N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide

C29H33N7O2 — CID 46207394

IUPACN-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCN(C)CCN(C)c1nc(C2COc3ccc(C(=O)NC4CC4)cc3C2)nc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C29H33N7O2/c1-35(2)10-11-36(3)28-24-14-18(22-15-30-31-16-22)4-8-25(24)33-27(34-28)21-13-20-12-19(5-9-26(20)38-17-21)29(37)32-23-6-7-23/h4-5,8-9,12,14-16,21,23H,6-7,10-11,13,17H2,1-3H3,(H,30,31)(H,32,37)
InChIKeyDEELUXJTOGGMEF-UHFFFAOYSA-N
MW511.63 g/mol
LogP3.63
Rot. Bonds8

About N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide

N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide (PubChem CID 46207394) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
PubChem CID46207394
Molecular FormulaC29H33N7O2
Molecular Weight511.63 g/mol
Exact Mass511.27
IUPAC NameN-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide
SMILESCN(C)CCN(C)c1nc(C2COc3ccc(C(=O)NC4CC4)cc3C2)nc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C29H33N7O2/c1-35(2)10-11-36(3)28-24-14-18(22-15-30-31-16-22)4-8-25(24)33-27(34-28)21-13-20-12-19(5-9-26(20)38-17-21)29(37)32-23-6-7-23/h4-5,8-9,12,14-16,21,23H,6-7,10-11,13,17H2,1-3H3,(H,30,31)(H,32,37)
InChIKeyDEELUXJTOGGMEF-UHFFFAOYSA-N
XLogP3.63
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The IUPAC name of N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide (CID 46207394) is N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide is CN(C)CCN(C)c1nc(C2COc3ccc(C(=O)NC4CC4)cc3C2)nc2ccc(-c3cn[nH]c3)cc12.
What is the InChIKey of N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
The InChIKey is DEELUXJTOGGMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-35(2)10-11-36(3)28-24-14-18(22-15-30-31-16-22)4-8-25(24)33-27(34-28)21-13-20-12-19(5-9-26(20)38-17-21)29(37)32-23-6-7-23/h4-5,8-9,12,14-16,21,23H,6-7,10-11,13,17H2,1-3H3,(H,30,31)(H,32,37).
What are the key properties of N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide?
N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-[2-(dimethylamino)ethyl-methylamino]-6-(1H-pyrazol-4-yl)quinazolin-2-yl]-3,4-dihydro-2H-chromene-6-carboxamide is sourced from PubChem (CID 46207394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).