N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

C24H26N4O3 — CID 68738104

IUPACN-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4occcc3-4)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C24H26N4O3/c1-28-9-7-16(8-10-28)14-31-23-13-20-18(12-22(23)29-2)24(26-15-25-20)27-19-5-6-21-17(19)4-3-11-30-21/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,25,26,27)
InChIKeyADILVQBFXBDFLU-UHFFFAOYSA-N
MW418.50 g/mol
LogP4.80
Rot. Bonds6

About N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine (PubChem CID 68738104) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
PubChem CID68738104
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC NameN-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
SMILESCOc1cc2c(Nc3ccc4occcc3-4)ncnc2cc1OCC1CCN(C)CC1
InChIInChI=1S/C24H26N4O3/c1-28-9-7-16(8-10-28)14-31-23-13-20-18(12-22(23)29-2)24(26-15-25-20)27-19-5-6-21-17(19)4-3-11-30-21/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,25,26,27)
InChIKeyADILVQBFXBDFLU-UHFFFAOYSA-N
XLogP4.80
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(2-chloro-5-methoxyphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5330175
N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]formamide
CID 146180749
2-[4-[3-[4-(cyclopenta[b]pyran-5-ylamino)-6-methoxyquinazolin-7-yl]oxy-2-hydroxypropyl]piperazin-1-yl]acetonitrile
CID 87555418
N-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]furan-3-carboxamide
CID 166515218
N-[5-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 54337725
3-[4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenoxy]benzamide
CID 166515151
N-[3-bromo-4-(2-fluorophenoxy)phenyl]-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 166515235
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[[1-(2-methoxyethyl)piperidin-4-yl]methoxy]quinazolin-4-amine
CID 10391639
4-[[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxymethyl]piperidine-1-carboxylic acid
CID 68530871
2-[(1S)-3-[3-fluoro-4-[[6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-yl]amino]phenyl]-2-oxo-1-phenylpropyl]-3H-isoindol-1-one
CID 158147606
6-methoxy-4-(3-methylphenoxy)-7-[(1-methylpiperidin-4-yl)methoxy]quinazoline
CID 143865456
N-(3-chloro-2-fluorophenyl)-7-methoxy-6-[(1-methylsulfonylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 11755502

Frequently Asked Questions

What is the IUPAC name of N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The IUPAC name of N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine (CID 68738104) is N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine.
What is the SMILES notation for N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The canonical SMILES for N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine is COc1cc2c(Nc3ccc4occcc3-4)ncnc2cc1OCC1CCN(C)CC1.
What is the InChIKey of N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
The InChIKey is ADILVQBFXBDFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-28-9-7-16(8-10-28)14-31-23-13-20-18(12-22(23)29-2)24(26-15-25-20)27-19-5-6-21-17(19)4-3-11-30-21/h3-6,11-13,15-16H,7-10,14H2,1-2H3,(H,25,26,27).
What are the key properties of N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine?
N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine has a molecular weight of 418.50 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopenta[b]pyran-5-yl-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine is sourced from PubChem (CID 68738104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).