2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide

C22H26N4O — CID 86297237

IUPAC2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)N=C(N)N(C1Cc3ccccc3C1)C2
InChIInChI=1S/C22H26N4O/c1-3-25(4-2)21(27)17-9-10-18-14-26(22(23)24-20(18)13-17)19-11-15-7-5-6-8-16(15)12-19/h5-10,13,19H,3-4,11-12,14H2,1-2H3,(H2,23,24)
InChIKeyIPZWZCNMWSVBLQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.10
Rot. Bonds4

About 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide

2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide (PubChem CID 86297237) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide.

Molecular Properties

Compound Name2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide
PubChem CID86297237
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)N=C(N)N(C1Cc3ccccc3C1)C2
InChIInChI=1S/C22H26N4O/c1-3-25(4-2)21(27)17-9-10-18-14-26(22(23)24-20(18)13-17)19-11-15-7-5-6-8-16(15)12-19/h5-10,13,19H,3-4,11-12,14H2,1-2H3,(H2,23,24)
InChIKeyIPZWZCNMWSVBLQ-UHFFFAOYSA-N
XLogP3.10
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide?
The IUPAC name of 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide (CID 86297237) is 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide.
What is the SMILES notation for 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide?
The canonical SMILES for 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)N=C(N)N(C1Cc3ccccc3C1)C2.
What is the InChIKey of 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide?
The InChIKey is IPZWZCNMWSVBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-25(4-2)21(27)17-9-10-18-14-26(22(23)24-20(18)13-17)19-11-15-7-5-6-8-16(15)12-19/h5-10,13,19H,3-4,11-12,14H2,1-2H3,(H2,23,24).
What are the key properties of 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide?
2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4H-quinazoline-7-carboxamide is sourced from PubChem (CID 86297237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).