4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol

C31H32ClF2N5O2 — CID 171769880

IUPAC4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol
SMILESCN(C)CC1(COc2nc(N3CC4CCC(C3)N4)c3cc(Cl)c(-c4cc(O)c(F)c5ccccc45)c(F)c3n2)CC1
InChIInChI=1S/C31H32ClF2N5O2/c1-38(2)15-31(9-10-31)16-41-30-36-28-22(29(37-30)39-13-17-7-8-18(14-39)35-17)11-23(32)25(27(28)34)21-12-24(40)26(33)20-6-4-3-5-19(20)21/h3-6,11-12,17-18,35,40H,7-10,13-16H2,1-2H3
InChIKeyWYIVAQVJBIZKFU-UHFFFAOYSA-N
MW580.08 g/mol
LogP5.75
Rot. Bonds7

About 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol

4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol (PubChem CID 171769880) has the molecular formula C31H32ClF2N5O2 and a molecular weight of 580.08 g/mol. Its IUPAC name is 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol.

Molecular Properties

Compound Name4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol
PubChem CID171769880
Molecular FormulaC31H32ClF2N5O2
Molecular Weight580.08 g/mol
Exact Mass579.22
IUPAC Name4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol
SMILESCN(C)CC1(COc2nc(N3CC4CCC(C3)N4)c3cc(Cl)c(-c4cc(O)c(F)c5ccccc45)c(F)c3n2)CC1
InChIInChI=1S/C31H32ClF2N5O2/c1-38(2)15-31(9-10-31)16-41-30-36-28-22(29(37-30)39-13-17-7-8-18(14-39)35-17)11-23(32)25(27(28)34)21-12-24(40)26(33)20-6-4-3-5-19(20)21/h3-6,11-12,17-18,35,40H,7-10,13-16H2,1-2H3
InChIKeyWYIVAQVJBIZKFU-UHFFFAOYSA-N
XLogP5.75
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.08
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol?
The IUPAC name of 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol (CID 171769880) is 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol.
What is the SMILES notation for 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol?
The canonical SMILES for 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol is CN(C)CC1(COc2nc(N3CC4CCC(C3)N4)c3cc(Cl)c(-c4cc(O)c(F)c5ccccc45)c(F)c3n2)CC1.
What is the InChIKey of 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol?
The InChIKey is WYIVAQVJBIZKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32ClF2N5O2/c1-38(2)15-31(9-10-31)16-41-30-36-28-22(29(37-30)39-13-17-7-8-18(14-39)35-17)11-23(32)25(27(28)34)21-12-24(40)26(33)20-6-4-3-5-19(20)21/h3-6,11-12,17-18,35,40H,7-10,13-16H2,1-2H3.
What are the key properties of 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol?
4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol has a molecular weight of 580.08 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[[1-[(dimethylamino)methyl]cyclopropyl]methoxy]-8-fluoroquinazolin-7-yl]-1-fluoronaphthalen-2-ol is sourced from PubChem (CID 171769880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).