5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide

C32H30FN7O4 — CID 67514330

IUPAC5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCc1ccc(-c2ccc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccc(C(=O)N(C)C)nc5)c(F)c4)nc3c2)o1
InChIInChI=1S/C32H30FN7O4/c1-19-4-11-28(44-19)20-5-8-23-27(17-20)36-29(38-30(23)40-12-14-43-15-13-40)21-6-9-25(24(33)16-21)37-32(42)35-22-7-10-26(34-18-22)31(41)39(2)3/h4-11,16-18H,12-15H2,1-3H3,(H2,35,37,42)
InChIKeyWKMJVSOJBMYLLB-UHFFFAOYSA-N
MW595.64 g/mol
LogP5.58
Rot. Bonds6

About 5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide

5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 67514330) has the molecular formula C32H30FN7O4 and a molecular weight of 595.64 g/mol. Its IUPAC name is 5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID67514330
Molecular FormulaC32H30FN7O4
Molecular Weight595.64 g/mol
Exact Mass595.23
IUPAC Name5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCc1ccc(-c2ccc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccc(C(=O)N(C)C)nc5)c(F)c4)nc3c2)o1
InChIInChI=1S/C32H30FN7O4/c1-19-4-11-28(44-19)20-5-8-23-27(17-20)36-29(38-30(23)40-12-14-43-15-13-40)21-6-9-25(24(33)16-21)37-32(42)35-22-7-10-26(34-18-22)31(41)39(2)3/h4-11,16-18H,12-15H2,1-3H3,(H2,35,37,42)
InChIKeyWKMJVSOJBMYLLB-UHFFFAOYSA-N
XLogP5.58
TPSA125.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.64
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 68913288
4-[[2-fluoro-4-[7-[5-(2-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67515506
N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 57335185
4-[[2-fluoro-4-(4-morpholin-4-yl-7-pyridin-3-ylquinazolin-2-yl)phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67515681
5-[[4-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]-2-fluorophenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide
CID 123381811
N-methyl-N-[4-[[4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 67516168
N-[4-[[4-[7-(5-ethylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-2-fluorophenyl]acetamide
CID 67514213
N-[2-fluoro-4-[[4-[7-[5-(hydroxymethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]phenyl]acetamide
CID 68913995
1-[2-fluoro-4-(2-oxopropyl)phenyl]-3-[4-[7-[5-(1-hydroxyethyl)furan-2-yl]-4-morpholin-4-ylquinazolin-2-yl]phenyl]urea
CID 146750282
3-fluoro-N,N-dimethyl-4-[[4-(4-morpholin-4-yl-7-pyrimidin-5-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]carbamoylamino]benzamide
CID 67516087
N,N-dimethyl-4-[[4-[7-(2-methyl-3-pyridinyl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]benzamide
CID 67515760
3-fluoro-4-[[4-[7-(2-fluoro-3-pyridinyl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl]phenyl]carbamoylamino]-N,N-dimethylbenzamide
CID 67518025

Frequently Asked Questions

What is the IUPAC name of 5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide (CID 67514330) is 5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide is Cc1ccc(-c2ccc3c(N4CCOCC4)nc(-c4ccc(NC(=O)Nc5ccc(C(=O)N(C)C)nc5)c(F)c4)nc3c2)o1.
What is the InChIKey of 5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is WKMJVSOJBMYLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30FN7O4/c1-19-4-11-28(44-19)20-5-8-23-27(17-20)36-29(38-30(23)40-12-14-43-15-13-40)21-6-9-25(24(33)16-21)37-32(42)35-22-7-10-26(34-18-22)31(41)39(2)3/h4-11,16-18H,12-15H2,1-3H3,(H2,35,37,42).
What are the key properties of 5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide?
5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 595.64 g/mol, XLogP of 5.58, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-fluoro-4-[7-(5-methylfuran-2-yl)-4-morpholin-4-ylquinazolin-2-yl]phenyl]carbamoylamino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 67514330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).