N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide

C29H24F6N4O5 — CID 156872399

IUPACN-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc2cnc(CO)nc12
InChIInChI=1S/C29H24F6N4O5/c1-43-20-7-16(6-17-9-36-22(10-40)39-23(17)20)26(41)37-13-28(42,29(33,34)35)21-8-19-25(44-14-27(19,11-30)12-31)24(38-21)15-2-4-18(32)5-3-15/h2-9,40,42H,10-14H2,1H3,(H,37,41)/t28-/m0/s1
InChIKeyDQKRPMLMPPPPIX-NDEPHWFRSA-N
MW622.52 g/mol
LogP4.08
Rot. Bonds9

About N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide

N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide (PubChem CID 156872399) has the molecular formula C29H24F6N4O5 and a molecular weight of 622.52 g/mol. Its IUPAC name is N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide
PubChem CID156872399
Molecular FormulaC29H24F6N4O5
Molecular Weight622.52 g/mol
Exact Mass622.17
IUPAC NameN-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide
SMILESCOc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc2cnc(CO)nc12
InChIInChI=1S/C29H24F6N4O5/c1-43-20-7-16(6-17-9-36-22(10-40)39-23(17)20)26(41)37-13-28(42,29(33,34)35)21-8-19-25(44-14-27(19,11-30)12-31)24(38-21)15-2-4-18(32)5-3-15/h2-9,40,42H,10-14H2,1H3,(H,37,41)/t28-/m0/s1
InChIKeyDQKRPMLMPPPPIX-NDEPHWFRSA-N
XLogP4.08
TPSA126.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500622.52
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methoxyethyl)-4-[[6-(3-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzamide
CID 71584401
4-[[4-(1H-indol-4-yloxy)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 58525372
7-{[8-(4-Fluoro-2-methoxyphenyl)quinazolin-2-yl]amino}-N-(piperidin-4-yl)-2,3-dihydro-1-benzofuran-4-carboxamide
CID 122648840
US11420976, Example 16
CID 156809888
US11420976, Example 11
CID 156809935
US11420976, Example 6
CID 156809951
US11420976, Example 5
CID 156809961
US11420976, Example 10
CID 163633832
US11420976, Example 17
CID 165436685
US11420976, Example 50
CID 165436711
US11420976, Example 59e
CID 165436721
8-methoxy-3-methyl-N-[(2S)-3,3,3-trifluoro-2-[5-fluoro-6-(4-fluorophenyl)-4-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-hydroxypropyl]quinoline-6-carboxamide
CID 168823525

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide?
The IUPAC name of N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide (CID 156872399) is N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide.
What is the SMILES notation for N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide?
The canonical SMILES for N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide is COc1cc(C(=O)NC[C@](O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)(F)F)cc2cnc(CO)nc12.
What is the InChIKey of N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide?
The InChIKey is DQKRPMLMPPPPIX-NDEPHWFRSA-N. The full InChI is InChI=1S/C29H24F6N4O5/c1-43-20-7-16(6-17-9-36-22(10-40)39-23(17)20)26(41)37-13-28(42,29(33,34)35)21-8-19-25(44-14-27(19,11-30)12-31)24(38-21)15-2-4-18(32)5-3-15/h2-9,40,42H,10-14H2,1H3,(H,37,41)/t28-/m0/s1.
What are the key properties of N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide?
N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide has a molecular weight of 622.52 g/mol, XLogP of 4.08, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[3,3-bis(fluoromethyl)-7-(4-fluorophenyl)-2H-furo[2,3-c]pyridin-5-yl]-3,3,3-trifluoro-2-hydroxypropyl]-2-(hydroxymethyl)-8-methoxyquinazoline-6-carboxamide is sourced from PubChem (CID 156872399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).