N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide

C33H32FN5O3 — CID 166515263

IUPACN-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide
SMILESCOc1cc2c(Nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3F)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C33H32FN5O3/c1-39-13-11-21(12-14-39)19-42-31-18-29-26(17-30(31)41-2)32(36-20-35-29)38-28-10-9-25(16-27(28)34)37-33(40)24-8-7-22-5-3-4-6-23(22)15-24/h3-10,15-18,20-21H,11-14,19H2,1-2H3,(H,37,40)(H,35,36,38)
InChIKeyDUQMVVIJWROVAV-UHFFFAOYSA-N
MW565.65 g/mol
LogP6.65
Rot. Bonds8

About N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide

N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide (PubChem CID 166515263) has the molecular formula C33H32FN5O3 and a molecular weight of 565.65 g/mol. Its IUPAC name is N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide
PubChem CID166515263
Molecular FormulaC33H32FN5O3
Molecular Weight565.65 g/mol
Exact Mass565.25
IUPAC NameN-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide
SMILESCOc1cc2c(Nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3F)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C33H32FN5O3/c1-39-13-11-21(12-14-39)19-42-31-18-29-26(17-30(31)41-2)32(36-20-35-29)38-28-10-9-25(16-27(28)34)37-33(40)24-8-7-22-5-3-4-6-23(22)15-24/h3-10,15-18,20-21H,11-14,19H2,1-2H3,(H,37,40)(H,35,36,38)
InChIKeyDUQMVVIJWROVAV-UHFFFAOYSA-N
XLogP6.65
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.65
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline
CID 9914412
N-[5-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-2-yl]benzamide
CID 23646072
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5329042
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
CID 5329049
Aurora Kinase Inhibitor II
CID 6610278
N-{4-[(7-Hydroxy-6-Methoxyquinazolin-4-Yl)amino]phenyl}benzamide
CID 135566704
[4-(6,7-Dimethoxyquinazolin-4-yl)piperidin-1-yl]-[4-(trifluoromethyloxy)phenyl]methanone
CID 137333966
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(4-(1-methylpiperidin-4-yloxy)phenyl)benzamide
CID 16086101
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide
CID 24822428
2-(2,5-Difluorophenyl)-1-[5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 117636472
N-(3-{[7-Methoxy-6-(2-Pyrrolidin-1-Ylethoxy)quinazolin-4-Yl]amino}-4-Methylphenyl)-2-Morpholin-4-Ylisonicotinamide
CID 5327065
N-[2-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)pyrimidin-5-yl]benzamide
CID 23646073

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide (CID 166515263) is N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide is COc1cc2c(Nc3ccc(NC(=O)c4ccc5ccccc5c4)cc3F)ncnc2cc1OCC1CCN(C)CC1.
What is the InChIKey of N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide?
The InChIKey is DUQMVVIJWROVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN5O3/c1-39-13-11-21(12-14-39)19-42-31-18-29-26(17-30(31)41-2)32(36-20-35-29)38-28-10-9-25(16-27(28)34)37-33(40)24-8-7-22-5-3-4-6-23(22)15-24/h3-10,15-18,20-21H,11-14,19H2,1-2H3,(H,37,40)(H,35,36,38).
What are the key properties of N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide?
N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide has a molecular weight of 565.65 g/mol, XLogP of 6.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 166515263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).