N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide

C24H26FN5O3 — CID 144839481

IUPACN-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide
SMILESCN(c1ccncc1N(C=O)Cc1nc(OCC2CCOC2)c2cc(F)ccc2n1)C1CC1
InChIInChI=1S/C24H26FN5O3/c1-29(18-3-4-18)21-6-8-26-11-22(21)30(15-31)12-23-27-20-5-2-17(25)10-19(20)24(28-23)33-14-16-7-9-32-13-16/h2,5-6,8,10-11,15-16,18H,3-4,7,9,12-14H2,1H3
InChIKeyPFKUZVVHTIXARE-UHFFFAOYSA-N
MW451.50 g/mol
LogP3.34
Rot. Bonds9

About N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide

N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide (PubChem CID 144839481) has the molecular formula C24H26FN5O3 and a molecular weight of 451.50 g/mol. Its IUPAC name is N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide
PubChem CID144839481
Molecular FormulaC24H26FN5O3
Molecular Weight451.50 g/mol
Exact Mass451.20
IUPAC NameN-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide
SMILESCN(c1ccncc1N(C=O)Cc1nc(OCC2CCOC2)c2cc(F)ccc2n1)C1CC1
InChIInChI=1S/C24H26FN5O3/c1-29(18-3-4-18)21-6-8-26-11-22(21)30(15-31)12-23-27-20-5-2-17(25)10-19(20)24(28-23)33-14-16-7-9-32-13-16/h2,5-6,8,10-11,15-16,18H,3-4,7,9,12-14H2,1H3
InChIKeyPFKUZVVHTIXARE-UHFFFAOYSA-N
XLogP3.34
TPSA80.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide with MolForge

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Related Compounds

5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
4-(4-Methoxyphenoxy)-2-(pyridin-3-yl)quinazoline
CID 719310
4-(4-Methoxyphenoxy)-2-pyridin-2-ylquinazoline
CID 929911
4-(2-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 929925
4-(3-Methylphenoxy)-2-pyridin-2-ylquinazoline
CID 930112
4-(2-Fluorophenoxy)-2-(pyridin-4-yl)quinazoline
CID 930135
4-(4-Fluorophenoxy)-2-pyridin-2-ylquinazoline
CID 930136
4-Phenoxy-2-pyridin-2-ylquinazoline
CID 930617
4-(4-Propoxyphenoxy)-2-(pyridin-4-yl)quinazoline
CID 1883844
1-(4-Methylpiperidin-1-yl)-2-quinazolin-4-yloxyethanone
CID 2383474
4-(4-Methoxyphenoxy)-2-(pyridin-4-yl)quinazoline
CID 921320
4-Methoxy-2-(pyridin-4-yl)quinazoline
CID 710968

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide?
The IUPAC name of N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide (CID 144839481) is N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide.
What is the SMILES notation for N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide?
The canonical SMILES for N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide is CN(c1ccncc1N(C=O)Cc1nc(OCC2CCOC2)c2cc(F)ccc2n1)C1CC1.
What is the InChIKey of N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide?
The InChIKey is PFKUZVVHTIXARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3/c1-29(18-3-4-18)21-6-8-26-11-22(21)30(15-31)12-23-27-20-5-2-17(25)10-19(20)24(28-23)33-14-16-7-9-32-13-16/h2,5-6,8,10-11,15-16,18H,3-4,7,9,12-14H2,1H3.
What are the key properties of N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide?
N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide has a molecular weight of 451.50 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclopropyl(methyl)amino]-3-pyridinyl]-N-[[6-fluoro-4-(oxolan-3-ylmethoxy)quinazolin-2-yl]methyl]formamide is sourced from PubChem (CID 144839481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).